#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u n GLU 2 N 0.00 -1.06 -4.76 1.61 4.71 -1.26 -4.89 120.64 114.98 1s6u n GLU 2 Ca 0.00 -1.76 -0.25 0.00 -0.01 0.00 0.00 57.16 55.14 1s6u n GLU 2 Cb 0.00 -1.14 -0.16 0.00 -1.01 0.00 0.00 31.44 29.13 1s6u n GLU 2 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1s6u s VAL 3 N -3.43 1.32 -0.06 2.62 1.01 0.21 -4.32 120.40 117.77 1s6u s VAL 3 Ca 0.63 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 1s6u s VAL 3 Cb -0.02 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1s6u s VAL 3 CO 0.44 0.38 0.56 0.54 0.00 0.00 0.00 175.10 177.03 1s6u s VAL 4 N 0.02 5.04 -0.09 2.92 0.11 -1.26 -0.97 120.40 126.17 1s6u s VAL 4 Ca -0.03 1.16 0.01 0.00 -2.93 0.00 0.00 61.98 60.19 1s6u s VAL 4 Cb -0.11 -3.90 -0.02 0.00 -1.53 0.00 0.00 36.38 30.82 1s6u s VAL 4 CO 0.02 0.36 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.27 1s6u s LEU 5 N 0.25 2.82 -0.20 2.54 2.01 0.61 -3.05 118.68 123.66 1s6u s LEU 5 Ca 0.30 -0.22 -0.03 0.00 0.01 0.00 0.00 54.13 54.19 1s6u s LEU 5 Cb -0.17 -1.61 -0.01 0.00 0.01 0.00 0.00 46.19 44.41 1s6u s LEU 5 CO 0.15 0.26 -0.05 -0.75 1.01 0.00 0.00 176.35 176.97 1s6u s LYS 6 N -0.23 3.40 -0.15 1.70 2.47 -0.97 -0.98 119.74 124.99 1s6u s LYS 6 Ca 0.01 -0.62 0.01 0.00 -1.56 0.00 0.00 55.97 53.81 1s6u s LYS 6 Cb -0.13 -2.96 0.02 0.00 -1.46 0.00 0.00 37.83 33.30 1s6u s LYS 6 CO 0.03 -0.11 -0.15 0.00 0.16 0.00 0.00 175.35 175.27 1s6u s MET 7 N 1.24 2.43 0.19 4.03 0.23 0.04 -1.68 119.30 125.79 1s6u s MET 7 Ca 0.03 -0.61 -0.30 0.00 -1.03 0.00 0.00 55.69 53.77 1s6u s MET 7 Cb -0.14 -2.18 -0.08 0.00 -1.53 0.00 0.00 34.83 30.89 1s6u s MET 7 CO -0.02 -0.21 1.26 0.15 -2.03 0.00 0.00 175.02 174.17 1s6u s LYS 8 N 1.40 4.43 0.12 3.16 3.01 -1.00 -0.14 119.74 130.72 1s6u s LYS 8 Ca 0.04 1.97 0.09 0.00 -1.01 0.00 0.00 55.97 57.07 1s6u s LYS 8 Cb -0.13 -3.22 -0.04 0.00 -1.01 0.00 0.00 37.83 33.43 1s6u s LYS 8 CO -0.10 -0.19 -0.19 0.14 0.51 0.00 0.00 175.35 175.52 1s6u s VAL 9 N 0.07 2.75 0.11 3.17 -7.23 -0.51 -0.20 120.40 118.56 1s6u s VAL 9 Ca 0.55 -1.57 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1s6u s VAL 9 Cb -0.35 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1s6u s VAL 9 CO 0.37 0.08 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.52 1s6u s GLU 10 N -2.18 2.06 0.00 4.82 0.41 -1.19 -4.47 118.70 118.15 1s6u s GLU 10 Ca 0.18 -1.07 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 1s6u s GLU 10 Cb -0.10 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 1s6u s GLU 10 CO 0.10 0.50 0.00 0.41 -0.49 0.00 0.00 175.26 175.77 1s6u n GLY 11 N 0.66 1.83 3.57 -1.39 0.00 -1.26 -4.60 105.19 103.99 1s6u n GLY 11 Ca -0.14 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1s6u n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6u s MET 12 N 0.00 2.05 -0.44 1.61 -1.94 -1.26 -4.69 119.30 114.64 1s6u s MET 12 Ca 0.00 -0.36 0.07 0.00 -1.71 0.00 0.00 55.69 53.69 1s6u s MET 12 Cb 0.00 -5.03 0.42 0.00 2.01 0.00 0.00 34.83 32.23 1s6u s MET 12 CO 0.00 -4.19 1.07 2.41 -0.01 0.00 0.00 175.02 174.30 1s6u n THR 13 N 8.29 2.21 -3.80 2.05 -1.04 -1.26 -4.58 114.28 116.16 1s6u n THR 13 Ca 0.43 -4.74 -0.08 0.00 -2.04 0.00 0.00 64.05 57.61 1s6u n THR 13 Cb 0.46 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u h HIS 15 N 2.06 0.00 0.59 0.00 2.76 -2.00 -3.34 115.15 115.23 1s6u h HIS 15 Ca -0.23 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.91 1s6u h HIS 15 Cb 1.26 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.23 1s6u h HIS 15 CO 0.39 0.20 -0.28 0.77 -1.30 0.00 0.00 177.93 177.71 1s6u h SER 16 N 0.00 -0.67 -0.31 3.26 0.02 -1.98 0.63 113.55 114.50 1s6u h SER 16 Ca -0.00 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1s6u h SER 16 Cb 1.04 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 1s6u h SER 16 CO 0.03 -0.36 -0.15 0.00 -1.14 0.00 0.00 176.83 175.20 1s6u h THR 18 N -0.10 0.35 -0.38 0.00 1.35 -1.67 -0.57 112.91 111.88 1s6u h THR 18 Ca 0.16 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.08 1s6u h THR 18 Cb 0.35 0.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.06 1s6u h THR 18 CO -0.38 0.00 0.05 -1.28 -0.25 0.00 0.00 175.52 173.66 1s6u h SER 19 N -0.73 -0.04 -0.23 5.36 0.87 -0.43 0.20 113.55 118.55 1s6u h SER 19 Ca -0.04 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1s6u h SER 19 Cb 0.62 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1s6u h SER 19 CO 0.00 0.02 -0.17 0.74 -0.53 0.00 0.00 176.83 176.89 1s6u h THR 20 N 0.17 0.52 -0.55 2.23 2.02 -0.44 0.19 112.91 117.04 1s6u h THR 20 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 1s6u h THR 20 Cb 0.23 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1s6u h THR 20 CO -0.26 0.00 0.33 0.40 0.37 0.00 0.00 175.52 176.36 1s6u h ILE 21 N -0.17 1.17 -0.43 3.11 2.04 -0.62 0.25 117.51 122.86 1s6u h ILE 21 Ca 0.13 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1s6u h ILE 21 Cb 0.37 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 1s6u h ILE 21 CO -0.33 0.17 0.06 -0.33 0.00 0.00 0.00 178.15 177.72 1s6u h GLU 22 N 0.73 0.18 0.51 2.37 5.08 0.43 0.20 114.58 124.09 1s6u h GLU 22 Ca 0.20 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1s6u h GLU 22 Cb -0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1s6u h GLU 22 CO -0.04 0.12 -0.29 0.78 -1.00 0.00 0.00 179.01 178.58 1s6u h GLY 23 N 0.18 -0.80 0.70 -3.84 0.00 -0.43 0.12 103.07 99.00 1s6u h GLY 23 Ca 0.21 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.91 1s6u h GLY 23 CO -0.30 -0.29 0.16 1.70 0.00 0.00 0.00 176.54 177.81 1s6u h LYS 24 N -0.76 0.33 -0.12 4.80 1.63 -0.35 0.48 116.57 122.58 1s6u h LYS 24 Ca -0.06 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1s6u h LYS 24 Cb 0.61 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1s6u h LYS 24 CO 0.08 0.22 -0.00 0.82 -3.45 0.00 0.00 179.45 177.11 1s6u h ILE 25 N 0.34 1.26 -1.01 2.00 1.08 -0.65 -2.87 117.51 117.66 1s6u h ILE 25 Ca 0.18 -0.83 0.23 0.00 -0.39 0.00 0.00 64.86 64.04 1s6u h ILE 25 Cb 0.14 1.57 -0.11 0.00 -3.07 0.00 0.00 36.82 35.35 1s6u h ILE 25 CO -0.16 0.24 0.61 1.23 -0.69 0.00 0.00 178.15 179.38 1s6u h GLY 26 N -0.06 1.72 2.00 5.37 0.00 -0.22 0.44 103.07 112.33 1s6u h GLY 26 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1s6u h GLY 26 CO 0.01 -0.15 -0.02 1.70 0.00 0.00 0.00 176.54 178.07 1s6u h LYS 27 N 0.62 0.00 -6.65 4.80 3.64 -0.68 -3.45 116.57 114.86 1s6u h LYS 27 Ca 0.61 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.47 1s6u h LYS 27 Cb 1.14 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1s6u h LYS 27 CO -0.40 0.02 0.49 -0.51 -2.27 0.00 0.00 179.45 176.79 1s6u s LEU 28 N -8.77 4.47 -1.00 5.20 1.43 0.14 -4.92 118.68 115.24 1s6u s LEU 28 Ca -0.05 2.10 -0.24 0.00 -1.03 0.00 0.00 54.13 54.92 1s6u s LEU 28 Cb 0.16 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1s6u s LEU 28 CO 0.65 -0.26 1.90 0.00 0.23 0.00 0.00 176.35 178.88 1s6u s GLN 29 N -0.25 2.65 0.00 1.70 -2.07 -1.26 -2.95 119.66 117.47 1s6u s GLN 29 Ca 0.50 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 1s6u s GLN 29 Cb -0.30 -5.15 0.00 0.00 -1.09 0.00 0.00 33.01 26.47 1s6u s GLN 29 CO 0.35 -3.44 0.00 0.41 -1.32 0.00 0.00 175.29 171.29 1s6u n GLY 30 N 6.52 0.20 3.85 2.60 0.00 -1.26 -4.39 105.19 112.71 1s6u n GLY 30 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 1s6u n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6u s VAL 31 N 0.00 4.73 0.00 1.61 1.01 -1.15 -1.08 120.40 125.52 1s6u s VAL 31 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1s6u s VAL 31 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1s6u s VAL 31 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 175.10 174.96 1s6u n GLN 32 N -0.26 2.03 -3.70 2.72 1.13 -0.09 -4.91 117.38 114.31 1s6u n GLN 32 Ca 0.02 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.99 1s6u n GLN 32 Cb 0.53 -0.98 -0.03 0.00 0.11 0.00 0.00 30.24 29.86 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6u s ARG 33 N -1.96 1.39 -0.24 -1.09 3.52 -0.34 -5.04 118.95 115.19 1s6u s ARG 33 Ca 0.00 -0.82 -0.23 0.00 -0.13 0.00 0.00 55.73 54.55 1s6u s ARG 33 Cb 0.00 0.54 0.06 0.00 -1.56 0.00 0.00 34.95 33.99 1s6u s ARG 33 CO 0.00 -0.60 0.66 -1.50 -0.81 0.00 0.00 175.30 173.05 1s6u s ILE 34 N -3.86 0.00 -0.40 4.11 2.07 -1.26 -0.13 121.20 121.73 1s6u s ILE 34 Ca 0.08 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1s6u s ILE 34 Cb -0.01 -0.92 0.16 0.00 0.13 0.00 0.00 42.46 41.82 1s6u s ILE 34 CO -0.04 -0.00 0.32 -0.54 -1.91 0.00 0.00 174.94 172.78 1s6u s LYS 35 N 0.30 0.81 -0.44 3.50 -0.14 0.41 -4.96 119.74 119.22 1s6u s LYS 35 Ca -0.00 -1.84 -0.26 0.00 -1.36 0.00 0.00 55.97 52.50 1s6u s LYS 35 Cb -0.04 -1.31 0.02 0.00 -1.68 0.00 0.00 37.83 34.82 1s6u s LYS 35 CO 0.01 -1.34 0.94 0.08 -0.76 0.00 0.00 175.35 174.29 1s6u s VAL 36 N 0.38 4.47 0.67 3.17 1.01 -1.25 -0.31 120.40 128.53 1s6u s VAL 36 Ca 0.29 0.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1s6u s VAL 36 Cb -0.03 -4.43 0.07 0.00 0.00 0.00 0.00 36.38 31.99 1s6u s VAL 36 CO -0.14 -0.79 0.94 -0.44 0.00 0.00 0.00 175.10 174.67 1s6u s SER 37 N 2.21 4.77 0.00 3.32 0.01 0.51 -4.96 113.70 119.56 1s6u s SER 37 Ca 0.38 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1s6u s SER 37 Cb -0.10 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1s6u s SER 37 CO 0.25 -1.56 0.00 0.00 0.41 0.00 0.00 173.24 172.34 1s6u n LEU 38 N -2.75 0.18 -0.11 2.44 -0.00 -1.26 -4.06 117.00 111.43 1s6u n LEU 38 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.99 1s6u n LEU 38 Cb 0.60 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 1s6u n LEU 38 CO 0.47 -0.25 0.50 0.44 -0.00 0.00 0.00 177.39 178.55 1s6u h ASP 39 N 0.00 -1.65 -0.39 1.45 5.19 -1.94 0.31 116.42 119.40 1s6u h ASP 39 Ca 0.00 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1s6u h ASP 39 Cb 0.32 0.67 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1s6u h ASP 39 CO 0.00 -0.37 0.00 -3.20 -3.12 0.00 0.00 179.24 172.55 1s6u n ASN 40 N -5.07 4.08 -3.71 6.45 5.15 -1.26 -4.95 115.26 115.96 1s6u n ASN 40 Ca -0.03 -2.59 -0.24 0.00 -0.60 0.00 0.00 54.58 51.12 1s6u n ASN 40 Cb 0.31 -0.61 0.01 0.00 -0.53 0.00 0.00 39.78 38.95 1s6u n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s6u n GLN 41 N 0.44 -0.69 -3.81 1.20 6.02 0.10 -4.93 117.38 115.70 1s6u n GLN 41 Ca 0.18 0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 57.12 1s6u n GLN 41 Cb 0.86 -1.22 -0.10 0.00 1.02 0.00 0.00 30.24 30.80 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s6u s GLU 42 N -5.51 0.45 -0.11 -1.09 2.12 -1.26 -1.43 118.70 111.88 1s6u s GLU 42 Ca 0.19 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.46 1s6u s GLU 42 Cb -0.11 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.50 1s6u s GLU 42 CO 0.58 -0.10 -0.15 0.00 -0.54 0.00 0.00 175.26 175.05 1s6u s ALA 43 N -0.81 1.72 -0.18 6.30 0.00 0.80 -0.37 121.76 129.22 1s6u s ALA 43 Ca -0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1s6u s ALA 43 Cb -0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1s6u s ALA 43 CO 0.02 -0.12 0.22 0.99 0.00 0.00 0.00 175.76 176.87 1s6u s THR 44 N 1.05 5.35 -0.10 0.00 2.01 0.58 -0.78 115.64 123.75 1s6u s THR 44 Ca -0.05 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1s6u s THR 44 Cb -0.15 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1s6u s THR 44 CO -0.03 0.40 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.58 1s6u s ILE 45 N 0.49 1.11 -0.33 1.82 -1.09 -0.15 -0.45 121.20 122.61 1s6u s ILE 45 Ca 0.12 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1s6u s ILE 45 Cb -0.12 -1.08 0.08 0.00 -1.58 0.00 0.00 42.46 39.76 1s6u s ILE 45 CO 0.01 0.37 0.03 -0.69 -1.23 0.00 0.00 174.94 173.44 1s6u s VAL 46 N 1.35 2.62 0.24 2.92 1.01 0.81 -0.28 120.40 129.07 1s6u s VAL 46 Ca -0.01 -1.91 0.02 0.00 0.00 0.00 0.00 61.98 60.08 1s6u s VAL 46 Cb -0.14 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1s6u s VAL 46 CO -0.05 -0.38 0.05 -0.72 0.00 0.00 0.00 175.10 174.01 1s6u s TYR 47 N 1.07 1.51 -0.38 5.22 -0.85 -0.14 -0.91 117.35 122.87 1s6u s TYR 47 Ca 0.02 -1.08 -0.15 0.00 -0.52 0.00 0.00 57.07 55.34 1s6u s TYR 47 Cb -0.20 -0.89 0.00 0.00 0.38 0.00 0.00 41.96 41.25 1s6u s TYR 47 CO -0.05 -0.23 0.34 -1.14 -1.52 0.00 0.00 175.55 172.95 1s6u s GLN 48 N -3.97 3.29 -1.17 -3.49 0.74 -0.24 -0.62 119.66 114.22 1s6u s GLN 48 Ca 0.33 -0.70 -0.21 0.00 0.05 0.00 0.00 55.36 54.83 1s6u s GLN 48 Cb 0.07 -3.89 -0.06 0.00 1.10 0.00 0.00 33.01 30.24 1s6u s GLN 48 CO 0.11 -0.64 1.90 -0.35 -0.55 0.00 0.00 175.29 175.76 1s6u n PRO 49 N 5.31 1.98 0.00 1.67 -0.04 -1.26 -1.97 135.00 140.69 1s6u n PRO 49 Ca -0.10 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1s6u n PRO 49 Cb 0.48 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.39 1s6u n PRO 49 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1s6u n HIS 50 N 11.85 -0.83 0.01 0.54 -0.00 -1.26 -4.99 115.22 120.53 1s6u n HIS 50 Ca 0.47 0.02 -0.19 0.00 -0.00 0.00 0.00 57.72 58.02 1s6u n HIS 50 Cb 0.45 0.20 -0.14 0.00 -0.00 0.00 0.00 29.99 30.50 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1s6u h LEU 51 N 0.00 0.33 -8.91 0.27 3.38 -1.71 -3.48 115.31 105.18 1s6u h LEU 51 Ca 0.00 -0.95 -0.36 0.00 0.09 0.00 0.00 57.88 56.66 1s6u h LEU 51 Cb 0.00 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 40.50 1s6u h LEU 51 CO 0.00 1.31 -0.62 -0.51 0.09 0.00 0.00 178.44 178.72 1s6u s ILE 52 N -2.38 0.63 0.08 1.22 1.10 -1.23 -4.83 121.20 115.80 1s6u s ILE 52 Ca -0.16 -2.00 -0.01 0.00 -0.51 0.00 0.00 60.65 57.97 1s6u s ILE 52 Cb 0.00 -2.63 -0.04 0.00 0.15 0.00 0.00 42.46 39.94 1s6u s ILE 52 CO 0.78 -0.03 -0.00 -0.94 -2.11 0.00 0.00 174.94 172.65 1s6u s SER 53 N -3.32 0.48 0.26 4.50 1.04 -1.26 -4.52 113.70 110.87 1s6u s SER 53 Ca 0.37 -1.08 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 1s6u s SER 53 Cb 0.08 0.23 0.49 0.00 0.10 0.00 0.00 66.02 66.91 1s6u s SER 53 CO 0.13 -0.64 1.60 0.58 0.98 0.00 0.00 173.24 175.90 1s6u h VAL 54 N 3.03 0.19 -0.33 5.02 2.07 -2.00 -1.93 116.25 122.30 1s6u h VAL 54 Ca -0.35 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1s6u h VAL 54 Cb 1.16 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1s6u h VAL 54 CO 0.63 0.01 0.11 -0.08 0.02 0.00 0.00 177.57 178.26 1s6u h GLU 55 N 0.04 0.51 -0.05 1.57 4.57 -1.98 0.15 114.58 119.40 1s6u h GLU 55 Ca 0.46 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.56 1s6u h GLU 55 Cb 0.81 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.26 1s6u h GLU 55 CO -0.81 0.54 -0.42 0.93 -1.18 0.00 0.00 179.01 178.07 1s6u h GLU 56 N 0.38 -0.53 -0.16 1.92 4.39 -1.79 0.54 114.58 119.34 1s6u h GLU 56 Ca 0.11 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1s6u h GLU 56 Cb 0.24 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1s6u h GLU 56 CO -0.00 -0.35 -0.25 0.52 -1.16 0.00 0.00 179.01 177.76 1s6u h MET 57 N -0.55 -0.20 0.94 2.33 2.86 -1.02 0.17 114.93 119.47 1s6u h MET 57 Ca 0.06 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1s6u h MET 57 Cb 0.64 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.35 1s6u h MET 57 CO -0.35 -0.13 -0.48 -0.22 1.06 0.00 0.00 176.91 176.80 1s6u h LYS 58 N -0.20 -1.25 -0.79 1.72 3.11 -0.44 0.53 116.57 119.24 1s6u h LYS 58 Ca 0.03 0.09 0.18 0.00 -2.81 0.00 0.00 60.65 58.13 1s6u h LYS 58 Cb 0.28 0.28 -0.15 0.00 -1.00 0.00 0.00 32.23 31.65 1s6u h LYS 58 CO -0.26 -0.83 -0.09 -0.22 -2.81 0.00 0.00 179.45 175.24 1s6u h LYS 59 N -1.30 0.04 -0.57 1.90 3.64 0.08 0.75 116.57 121.11 1s6u h LYS 59 Ca -0.13 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1s6u h LYS 59 Cb 1.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1s6u h LYS 59 CO 0.20 0.03 -0.00 1.96 -2.27 0.00 0.00 179.45 179.36 1s6u h GLN 60 N 0.04 1.00 0.31 1.90 1.08 -0.75 0.87 115.11 119.57 1s6u h GLN 60 Ca 0.42 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1s6u h GLN 60 Cb 0.71 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1s6u h GLN 60 CO -0.76 1.00 -0.15 0.82 -0.95 0.00 0.00 178.83 178.79 1s6u h ILE 61 N 0.89 0.00 -0.97 2.54 2.04 0.17 -3.16 117.51 119.01 1s6u h ILE 61 Ca 0.16 -0.18 0.31 0.00 1.00 0.00 0.00 64.86 66.15 1s6u h ILE 61 Cb 0.55 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.47 1s6u h ILE 61 CO 0.03 0.00 0.40 -0.33 0.00 0.00 0.00 178.15 178.25 1s6u h GLU 62 N -0.60 0.18 -0.69 2.37 5.08 0.27 0.53 114.58 121.72 1s6u h GLU 62 Ca -0.04 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.46 1s6u h GLU 62 Cb 0.32 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1s6u h GLU 62 CO 0.07 0.12 0.47 0.00 -1.00 0.00 0.00 179.01 178.67 1s6u h ALA 63 N 1.88 2.24 -0.98 3.43 0.00 -0.80 0.18 119.26 125.21 1s6u h ALA 63 Ca 0.69 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.62 1s6u h ALA 63 Cb 1.59 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1s6u h ALA 63 CO -0.70 -0.43 0.65 0.52 0.00 0.00 0.00 179.25 179.29 1s6u h MET 64 N 0.28 1.26 0.00 0.00 2.86 -0.86 -3.46 114.93 115.01 1s6u h MET 64 Ca 0.33 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1s6u h MET 64 Cb 0.91 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1s6u h MET 64 CO -0.08 0.83 0.00 0.41 1.06 0.00 0.00 176.91 179.13 1s6u n GLY 65 N -1.37 0.85 3.57 8.32 0.00 0.64 -5.12 105.19 112.08 1s6u n GLY 65 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1s6u n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6u s PHE 66 N 0.00 2.92 0.38 1.61 0.08 -1.24 -4.99 117.98 116.74 1s6u s PHE 66 Ca 0.00 0.47 -0.27 0.00 0.12 0.00 0.00 56.93 57.25 1s6u s PHE 66 Cb 0.00 -4.00 -0.09 0.00 -0.57 0.00 0.00 43.02 38.35 1s6u s PHE 66 CO 0.00 -1.10 1.31 -1.25 -0.10 0.00 0.00 175.22 174.09 1s6u s PRO 67 N 3.83 4.11 -0.01 0.24 0.04 -1.26 -3.67 135.00 138.28 1s6u s PRO 67 Ca 0.39 2.20 -0.00 0.00 0.04 0.00 0.00 61.00 63.62 1s6u s PRO 67 Cb -0.10 -2.88 0.01 0.00 0.04 0.00 0.00 34.50 31.58 1s6u s PRO 67 CO 0.26 -0.39 0.02 0.00 0.04 0.00 0.00 177.00 176.94 1s6u s ALA 68 N -1.21 -0.00 -0.95 8.56 0.00 -1.26 -3.14 121.76 123.75 1s6u s ALA 68 Ca 0.54 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 1s6u s ALA 68 Cb -0.39 -0.11 0.24 0.00 0.00 0.00 0.00 23.12 22.86 1s6u s ALA 68 CO 0.51 -0.05 0.92 1.19 0.00 0.00 0.00 175.76 178.33 1s6u n PHE 69 N 3.50 4.29 -1.87 0.00 3.72 0.72 -4.89 117.46 122.93 1s6u n PHE 69 Ca -0.18 -3.96 -0.38 0.00 -0.05 0.00 0.00 57.45 52.87 1s6u n PHE 69 Cb 0.56 -1.25 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 1s6u n PHE 69 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1s6u s VAL 70 N -1.54 3.24 -0.43 -4.37 0.11 -1.26 -2.38 120.40 113.78 1s6u s VAL 70 Ca 0.29 0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 1s6u s VAL 70 Cb -0.06 -3.58 0.35 0.00 -1.53 0.00 0.00 36.38 31.57 1s6u s VAL 70 CO -0.09 -0.53 1.13 2.29 -3.33 0.00 0.00 175.10 174.57 1s6u n LYS 71 N 9.03 1.07 -3.65 1.54 2.85 -0.68 -4.97 118.16 123.35 1s6u n LYS 71 Ca 0.26 -2.13 -0.08 0.00 -1.05 0.00 0.00 58.31 55.32 1s6u n LYS 71 Cb 0.52 -0.85 -0.08 0.00 -0.65 0.00 0.00 35.03 33.97 1s6u n LYS 71 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1s6u s LYS 72 N -0.22 0.64 -0.59 -1.58 2.47 -1.20 -4.92 119.74 114.34 1s6u s LYS 72 Ca 0.24 1.13 0.06 0.00 -1.56 0.00 0.00 55.97 55.83 1s6u s LYS 72 Cb 0.33 0.10 0.31 0.00 -1.46 0.00 0.00 37.83 37.12 1s6u s LYS 72 CO -0.06 -0.15 0.88 -0.89 0.16 0.00 0.00 175.35 175.29 1s6u n ILE 73 N 4.30 2.74 -2.39 5.43 5.41 -1.26 -2.28 119.36 131.30 1s6u n ILE 73 Ca -0.21 -5.44 -0.40 0.00 1.00 0.00 0.00 62.75 57.70 1s6u n ILE 73 Cb 0.58 -1.57 0.01 0.00 -0.71 0.00 0.00 39.64 37.95 1s6u n ILE 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1s6u n GLU 74 N 0.10 5.05 -1.23 0.38 4.07 -1.17 -4.91 120.64 122.93 1s6u n GLU 74 Ca 0.30 -4.22 -0.30 0.00 -0.06 0.00 0.00 57.16 52.89 1s6u n GLU 74 Cb 0.41 -2.51 0.13 0.00 -0.06 0.00 0.00 31.44 29.40 1s6u n GLU 74 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1s6u s GLY 75 N -0.77 1.63 0.00 8.31 0.00 -1.26 -4.52 107.32 110.71 1s6u s GLY 75 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1s6u s GLY 75 CO -0.13 0.45 0.00 -2.13 0.00 0.00 0.00 173.10 171.29